4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one

C120H101F5N20O11S — CID 157065538

About 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one

4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one (PubChem CID 157065538) has the molecular formula C120H101F5N20O11S and a molecular weight of 2126.31 g/mol. Its IUPAC name is 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one.

Molecular Properties

• Compound Name: 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
• PubChem CID: 157065538
• Molecular Formula: C120H101F5N20O11S
• Molecular Weight: 2126.31 g/mol
• Exact Mass: 2124.76
• IUPAC Name: 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
• SMILES: CN1CC2=C(C1)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2=C(CNC2)C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2CN(c3ccccc3)CC2C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1Cc2cnn(C(=O)C3CC3)c2C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1Cc2cscc2C1
• InChI: InChI=1S/C28H25FN4O2.C25H20FN5O3.C23H21FN4O2.C22H19FN4O2.C22H16FN3O2S/c29-25-11-10-18(13-26-22-8-4-5-9-23(22)27(34)31-30-26)12-24(25)28(35)33-16-19-14-32(15-20(19)17-33)21-6-2-1-3-7-21;26-20-8-5-14(10-21-17-3-1-2-4-18(17)23(32)29-28-21)9-19(20)25(34)30-12-16-11-27-31(22(16)13-30)24(33)15-6-7-15;1-27-10-15-12-28(13-16(15)11-27)23(30)19-8-14(6-7-20(19)24)9-21-17-4-2-3-5-18(17)22(29)26-25-21;23-19-6-5-13(8-20-16-3-1-2-4-17(16)21(28)26-25-20)7-18(19)22(29)27-11-14-9-24-10-15(14)12-27;23-19-6-5-13(8-20-16-3-1-2-4-17(16)21(27)25-24-20)7-18(19)22(28)26-9-14-11-29-12-15(14)10-26/h1-12,19-20H,13-17H2,(H,31,34);1-5,8-9,11,15H,6-7,10,12-13H2,(H,29,32);2-8H,9-13H2,1H3,(H,26,29);1-7,24H,8-12H2,(H,26,28);1-7,11-12H,8-10H2,(H,25,27)
• InChIKey: ABVIMOWPRANEKS-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 383.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.31
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one?

The IUPAC name of 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one (CID 157065538) is 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one.

What is the SMILES notation for 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one?

The canonical SMILES for 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one is CN1CC2=C(C1)CN(C(=O)c1cc(Cc3n[nH]c(=O)c4ccccc34)ccc1F)C2.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2=C(CNC2)C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CC2CN(c3ccccc3)CC2C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1Cc2cnn(C(=O)C3CC3)c2C1.O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1Cc2cscc2C1.

What is the InChIKey of 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one?

The InChIKey is ABVIMOWPRANEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2.C25H20FN5O3.C23H21FN4O2.C22H19FN4O2.C22H16FN3O2S/c29-25-11-10-18(13-26-22-8-4-5-9-23(22)27(34)31-30-26)12-24(25)28(35)33-16-19-14-32(15-20(19)17-33)21-6-2-1-3-7-21;26-20-8-5-14(10-21-17-3-1-2-4-18(17)23(32)29-28-21)9-19(20)25(34)30-12-16-11-27-31(22(16)13-30)24(33)15-6-7-15;1-27-10-15-12-28(13-16(15)11-27)23(30)19-8-14(6-7-20(19)24)9-21-17-4-2-3-5-18(17)22(29)26-25-21;23-19-6-5-13(8-20-16-3-1-2-4-17(16)21(28)26-25-20)7-18(19)22(29)27-11-14-9-24-10-15(14)12-27;23-19-6-5-13(8-20-16-3-1-2-4-17(16)21(27)25-24-20)7-18(19)22(28)26-9-14-11-29-12-15(14)10-26/h1-12,19-20H,13-17H2,(H,31,34);1-5,8-9,11,15H,6-7,10,12-13H2,(H,29,32);2-8H,9-13H2,1H3,(H,26,29);1-7,24H,8-12H2,(H,26,28);1-7,11-12H,8-10H2,(H,25,27).

What are the key properties of 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one?

4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one has a molecular weight of 2126.31 g/mol, XLogP of 15.15, 17 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[1-(cyclopropanecarbonyl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[3-(4,6-dihydrothieno[3,4-c]pyrrole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-methyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one;4-[[4-fluoro-3-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)phenyl]methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 157065538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).